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50635-22-8 | m-Tolyloxyacetonitrile
CAS No: 50635-22-8 Catalog No: AG003S6I MDL No:MFCD09906425
Product Description
Catalog Number:
AG003S6I
Chemical Name:
m-Tolyloxyacetonitrile
CAS Number:
50635-22-8
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD09906425
IUPAC Name:
2-(3-methylphenoxy)acetonitrile
InChI:
InChI=1S/C9H9NO/c1-8-3-2-4-9(7-8)11-6-5-10/h2-4,7H,6H2,1H3
InChI Key:
RHUCKOJKXSCVOW-UHFFFAOYSA-N
SMILES:
N#CCOc1cccc(c1)C
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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